CID 135434808

Zinc03648153

Structural Information

Molecular Formula
C14H15F2N3O
SMILES
CC(C)NC1=NC(=CC(=O)N1)CC2=C(C=CC=C2F)F
InChI
InChI=1S/C14H15F2N3O/c1-8(2)17-14-18-9(7-13(20)19-14)6-10-11(15)4-3-5-12(10)16/h3-5,7-8H,6H2,1-2H3,(H2,17,18,19,20)
InChIKey
FFQLCZFNYRGMTN-UHFFFAOYSA-N
Compound name
4-[(2,6-difluorophenyl)methyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.11832 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12560 162.2
[M+Na]+ 302.10754 171.4
[M-H]- 278.11104 163.0
[M+NH4]+ 297.15214 174.9
[M+K]+ 318.08148 165.5
[M+H-H2O]+ 262.11558 151.7
[M+HCOO]- 324.11652 180.6
[M+CH3COO]- 338.13217 202.0
[M+Na-2H]- 300.09299 164.9
[M]+ 279.11777 159.3
[M]- 279.11887 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.